SCHEMBL2186535

SCHEMBL2186535

O=C(Br)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.64
CES2 O00748 2/20 0.64
AKR1B1 P15121 1/20 0.64
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
CTBP2 P56545 1/20 0.50
EPHX2 P34913 1/20 0.50
PAM P19021 2/20 0.48
TSHR P16473 2/20 0.48
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
PTGS1 P23219 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7382313 0.91 CES1 (0.54) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL9300170 0.86 CA2 (0.46) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL7389741 0.81 SRD5A2 (0.62) EPHX2
SCHEMBL17708570 0.78 CES1 (0.55) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL77563 0.78 CES1 (0.70) CES1CES2AKR1B1MEN1KMT2A
Phenylacetic Acid SCHEMBL9449909 0.78 AKR1B1 (1.00) CES1CES2AKR1B1MEN1KMT2A
Phenylacetic Acid SCHEMBL1330777 0.78 AKR1B1 (1.00) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL574185 0.78 CES1 (1.00) CES1CES2AKR1B1MEN1KMT2A
Phenylacetic Acid SCHEMBL27758886 0.78 AKR1B1 (1.00) CES1CES2AKR1B1MEN1KMT2A
Phenylacetic Acid SCHEMBL13618842 0.78 AKR1B1 (1.00) CES1CES2AKR1B1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423432-B (S) -4/5-phenyl-2- (pyrrolidine-2-yl) thiazole TRPV1 antagonist and preparation and application thereof 河南大学 2023-01-24 CN claimed
CN-111423432-A (S) -4/5-phenyl-2- (pyrrolidine-2-yl) thiazole TRPV1 antagonist and preparation and application thereof 河南大学 2020-07-17 CN claimed
CN-102352392-B Chemical-enzyme method for preparing D-tyrosine UNIV CHONGQING POSTS & TELECOM 2013-11-06 CN claimed
CN-101864464-B Chemical-enzyme method for preparing (S)-2-chlorophenyl glycine methyl ester clopidogrel chiral intermediate CHONGQING CHIRAL BIOCATALYSIS TECHNOLOGY CO LTD 2012-10-10 CN claimed
CN-102392061-A Chemical-enzyme method for preparing D-basic amino acid hydrochloride UNIV CHONGQING POSTS & TELECOM 2012-03-28 CN claimed
CN-102352389-A Chemical enzyme method for preparing L-para fluobenzene glycine UNIV CHONGQING POSTS & TELECOM 2012-02-15 CN claimed
CN-102352392-A Chemical-enzyme method for preparing D-tyrosine UNIV CHONGQING POSTS & TELECOM 2012-02-15 CN claimed
CN-102321695-A Chemical-enzymatic method for preparing D-serine UNIV CHONGQING POSTS & TELECOM 2012-01-18 CN claimed
CN-101864464-A Chemical-enzyme method for preparing (S)-2-chlorophenyl glycine methyl ester clopidogrel chiral intermediate CHONGQING CHIRAL BIOCATALYSIS TECHNOLOGY CO LTD 2010-10-20 CN claimed
CN-101357960-B Resource-saving preparation method of isoolefine and conjugated diene copolymer JIANGSU SHENGJIE IND CO LTD 2010-09-29 CN claimed
CN-101357960-A Resource-saving preparation method of isoolefine and conjugated diene copolymer JIANGSU SHENGJIE IND CO LTD (CN) 2009-02-04 CN claimed
US-4481369-A VIA TRICARBONYL(TRIPHENYLPOSPHINE) COBALTATE ETHYL CORPORATION (US) 1984-11-06 US claimed
US-4481368-A Process for preparing α-keto-carboxylic acids from acyl halides ETHYL CORPORATION (US) 1984-11-06 US claimed
WO-2025229046-A1 SUBSTITUTED HYDROQUINOLINES FOR THE TREATMENT OF GLIOBLASTOMA MULTIFORME MOLIUS SAGLIK TEKNOLOJILERI ANONIM SIRKETI (TR) 2025-11-06 WO disclosed
EP-4644375-A1 SUBSTITUTED HYDROQUINOLINES FOR THE TREATMENT OF GLIOBLASTOMA MULTIFORME Molius Saglik Teknolojileri Anonim Sirketi (TR) 2025-11-05 EP disclosed
US-20250256007-A1 GELMA POLYMER COMPOSITIONS COMPRISING CELLS GELMEDIX INC (US) 2025-08-14 US disclosed
US-4044002-A ACYL BROMIDES AND A BROMINE SCAVENGER ELI LILLY AND COMPANY (US) 1977-08-23 US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 US disclosed
US-3989695-A 7β-Amino-cepham-3-ol-4-carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1976-11-02 US disclosed
US-3932465-A ANTIBIOTIC CIBA-GEIGY CORPORATION (US) 1976-01-13 US disclosed